SCHEMBL8047769

SCHEMBL8047769

C=CCc1ccc(-c2cnc(/C=C/CCCC(C)O)nc2)cc1F

nearest known ligand 0.32

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.32
GABRB2 P47870 1/20 0.32
MAPK1 P28482 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
CNR1 P21554 1/20 0.30
CNR2 P34972 1/20 0.30
ESR1 P03372 1/20 0.30
ESR2 Q92731 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8047772 1.00 GABRA1 (0.32) GABRA1GABRB2MAPK1L3MBTL1CNR1
SCHEMBL8037203 0.99 GABRA1 (0.31) GABRA1GABRB2MAPK1L3MBTL1
SCHEMBL8037207 0.99 GABRA1 (0.31) GABRA1GABRB2MAPK1L3MBTL1
SCHEMBL8048054 0.90 GABRA1 (0.32) GABRA1GABRB2ESR1ESR2
SCHEMBL8048059 0.90 GABRA1 (0.32) GABRA1GABRB2ESR1ESR2
SCHEMBL8046280 0.89 GABRA1 (0.31) GABRA1GABRB2
SCHEMBL8046277 0.89 GABRA1 (0.31) GABRA1GABRB2
SCHEMBL8036314 0.88 PDE3B (0.33) ESR1ESR2
SCHEMBL8036308 0.88 PDE3B (0.33) ESR1ESR2
SCHEMBL8037037 0.88

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0643119-B1 Trans-olefin compounds, method for production thereof, liquid crystal composition containing the same as active ingredient, and liquid crystal element using said composition SUMITOMO CHEMICAL CO (JP) 2000-04-26 EP disclosed
US-6030546-A FERROELECTRIC PHASE; LOW VISCOSITY;, THERMOSENSITIVITY OVER A BROAD AND EXHIBITS A LARGE TILT ANGLE AND A HIGH-SPEED RESPONSE PROPERTY;CHEMICAL INTERMEDIATES FOR PESTICIDES, DRUGS AND LIQUID CRYSTALS; BORIDING AND HYDROLYSIS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2000-02-29 US disclosed
US-5707547-A CONTAINING FLUORINATED BENZENE OR NAPHTHALENE RINGS AND/OR NITROGEN CONTAINING HETEROCYCLES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1998-01-13 US disclosed
EP-0643119-A1 Trans-olefin compounds, method for production thereof, liquid crystal composition containing the same as active ingredient, and liquid crystal element using said composition SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1995-03-15 EP disclosed